3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine

C11H12ClF2N — CID 107889770

IUPAC3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine
SMILESNC1CC(F)(Cc2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C11H12ClF2N/c12-9-2-1-7(3-10(9)13)4-11(14)5-8(15)6-11/h1-3,8H,4-6,15H2
InChIKeyCPRJRDHPMUJODA-UHFFFAOYSA-N
MW231.67 g/mol
LogP2.85
Rot. Bonds2

About 3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine

3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine (PubChem CID 107889770) has the molecular formula C11H12ClF2N and a molecular weight of 231.67 g/mol. Its IUPAC name is 3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine.

Molecular Properties

Compound Name3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine
PubChem CID107889770
Molecular FormulaC11H12ClF2N
Molecular Weight231.67 g/mol
Exact Mass231.06
IUPAC Name3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine
SMILESNC1CC(F)(Cc2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C11H12ClF2N/c12-9-2-1-7(3-10(9)13)4-11(14)5-8(15)6-11/h1-3,8H,4-6,15H2
InChIKeyCPRJRDHPMUJODA-UHFFFAOYSA-N
XLogP2.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.67
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclohexan-1-amine
CID 114013147
3-[(3,4-difluorophenyl)methyl]-3-fluorocyclobutan-1-amine
CID 112563919
3-[(4-chlorophenyl)methyl]-3-fluorocyclobutan-1-amine
CID 112563994
1-[(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 114012589
1-[(4-chloro-3-fluorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 107883803
[1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine
CID 107898531
1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclohexan-1-amine
CID 114012587
3-[(2-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine
CID 112655178
2-[(4-chloro-3-fluorophenyl)methyl]-1,3-dihydroinden-2-amine
CID 107883808
3-[(4-chloro-3-fluorophenyl)methyl]cycloheptan-1-amine
CID 107888146
1-[(4-chloro-3-fluorophenyl)methyl]cycloheptan-1-ol
CID 107883416
1-[(4-chloro-3-fluorophenyl)methyl]cyclohexan-1-ol
CID 107883405

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine?
The IUPAC name of 3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine (CID 107889770) is 3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine.
What is the SMILES notation for 3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine?
The canonical SMILES for 3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine is NC1CC(F)(Cc2ccc(Cl)c(F)c2)C1.
What is the InChIKey of 3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine?
The InChIKey is CPRJRDHPMUJODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2N/c12-9-2-1-7(3-10(9)13)4-11(14)5-8(15)6-11/h1-3,8H,4-6,15H2.
What are the key properties of 3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine?
3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine has a molecular weight of 231.67 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine is sourced from PubChem (CID 107889770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).